1. Python

This section documents the Python portion of the library. There are two important packages in the main molpher package:

  1. molpher.core

    This is the package meant to be used by external scripts and applications. It contains a feature rich API with data structures and constructs that are more Python-like and easy to use.

  2. molpher.swig_wrappers

    Contents of this package are automatically generated from the C++ interface. Unlike the facilities under molpher.core, these are not intended for general use, but are used internally as a base for the constructs in molpher.core. However, they closely follow the C++ API so if you want to use the library from C++, you can get some idea on the data structures available from there as well.

There is also the molpher.examples package package which contains runnable scripts that were discussed in the Tutorial.